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Copper dimethyldithiocarbamate

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Name

Copper dimethyldithiocarbamate

EINECS 205-287-8
CAS No. 137-29-1 Density 1,75 g/cm3
PSA 121.26000 LogP 2.05830
Solubility N/A Melting Point 260 °C
Formula C6H12CuN2S4 Boiling Point 129.4 °C at 760 mmHg
Molecular Weight 303.985 Flash Point 32 °C
Transport Information N/A Appearance Brown powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 137-29-1 (Bis(dimethylcarbamodithioato-S,S') copper) Hazard Symbols N/A
Synonyms

Copper,bis(dimethylcarbamodithioato-S,S')-, (SP-4-1)-;Copper,bis(dimethyldithiocarbamato)- (7CI,8CI);Carbamodithioic acid, dimethyl-,copper complex;Bis(dimethyldithiocarbamato)copper;Bis(dimethyldithiocarbamato)copper(II);Bis[N,N-dimethyl(dithiocarbamato-S,S')]copper;Carbamodithioic acid, dimethyl-,copper(2+) salt;Copper bis(dimethyldithiocarbamate);Copperdimethyldithiocarbamate;Copper(2+) dimethyldithiocarbamate;Copper(II)dimethyldithiocarbamate;Cumate;Cupric N,N-dimethyldithiocarbamate;Dimethyldithiocarbamatocopper;Hermat Cu;NSC 32947;Nocceler TTCU;Wolfen;

Article Data 10

Copper dimethyldithiocarbamate Consensus Reports

Reported in EPA TSCA Inventory. Copper and its compounds are on the Community Right-To-Know List.

Copper dimethyldithiocarbamate Specification

The CAS registry number of Copper dimethyldithiocarbamate is 137-29-1. The IUPAC name is N,N-dimethylcarbamodithioate. The EINECS registry number is 205-287-8. In addition, the molecular formula is C6H12CuN2S4 and the molecular weight is 303.98. It is a kind of dark brown powder and belongs to the classes of Pharmaceutical Intermediates; Organometallics; Classes of Metal Compounds; Cu (Copper) Compounds; Transition Metal Compounds. What's more, it can be used as rapid sulfide accelerator of styrenebutadiene rubber, butyl rubber and butadiene rubber and can be used to produce electrical wiring and industrial products.

Physical properties about this chemical are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.06; (4)ACD/LogD (pH 7.4): -2.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 74.13 Å2; (13)Flash Point: 32 °C; (14)Enthalpy of Vaporization: 36.7 kJ/mol; (15)Boiling Point: 129.4 °C at 760 mmHg; (16)Vapour Pressure: 10.2 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cu+2].S=C([S-])N(C)C.[S-]C(=S)N(C)C
(2)InChI: InChI=1/2C3H7NS2.Cu/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2
(3)InChIKey: ZOUQIAGHKFLHIA-NUQVWONBAQ

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 7800ug/kg (7.8mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 227, 1952.
rat LCLo inhalation 210mg/m3/4H (210mg/m3) LUNGS, THORAX, OR RESPIRATION: DYSPNEA United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0786-0616,
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 14, 1953.
rat LDLo intraperitoneal 25mg/kg (25mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 14, 1953.

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